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114370-68-2

114370-68-2 | Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-

CAS No: 114370-68-2 Catalog No: AG000B61 MDL No:

Product Description

Catalog Number:
AG000B61
Chemical Name:
Pyrimidine, 1,4,5,6-tetrahydro-5,5-dimethyl-2-(phenylmethyl)-
CAS Number:
114370-68-2
Molecular Formula:
C13H18N2
Molecular Weight:
202.2954
IUPAC Name:
2-benzyl-5,5-dimethyl-4,6-dihydro-1H-pyrimidine
InChI:
InChI=1S/C13H18N2/c1-13(2)9-14-12(15-10-13)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,14,15)
InChI Key:
SQMLKRCKXSYMMM-UHFFFAOYSA-N
SMILES:
CC1(C)CNC(=NC1)Cc1ccccc1

Properties

Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.147g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.301g/mol
Monoisotopic Mass:
202.147g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
24.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

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